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85_At:  OK: Delta=0.50, Delta_1=1.61
87_Fr:  OK: Delta=0.13, Delta_1=1.80
88_Ra:  OK: Delta=0.48, Delta_1=2.73
89_Ac:  OK: Delta=0.79, Delta_1=2.23
90_Th:  OK: Delta=0.61, Delta_1=0.98
91_Pa:  OK: Delta=0.49, Delta_1=0.60
92_U:   OK: Delta=0.41, Delta_1=0.47
93_Np:  OK: Delta=0.82, Delta_1=0.94
94_Pu:  OK: Delta=0.41, Delta_1=1.35
95_Am:  OK: Delta=0.14, Delta_1=0.47
96_Cm:  OK: Delta=1.27, Delta_1=3.60
97_Bk:  OK: Delta=0.24, Delta_1=0.43
98_Cf:  OK: Delta=0.13, Delta_1=0.45
99_Es:  OK: Delta=0.51, Delta_1=2.21
100_Fm: OK: Delta=2.54, Delta_1=15.96
101_Md: OK: Delta=1.80, Delta_1=12.21
102_No: OK: Delta=0.03, Delta_1=0.14
103_Lr: OK: Delta=0.43, Delta_1=1.03

=========
Begin_SHE
=========
104_Rf:  OK: Delta=1.46, Delta_1=1.97
105_Db:  OK: Delta=3.40, Delta_1=2.77
106_Sg:  OK: Delta=1.41, Delta_1=0.88
107_Bh:  OK: Delta=1.53, Delta_1=0.77
108_Hs:  OK: Delta=0.66, Delta_1=0.31
109_Mt:  OK: Delta=2.80, Delta_1=1.44
110_Ds:  OK: Delta=0.98, Delta_1=0.66
111_Rg:  OK: Delta=1.86, Delta_1=2.15
112_Cn:  OK: Delta=0.18, Delta_1=4.55
113_Nh:  OK: Delta=1.18, Delta_1=4.85
114_Fl:  OK: Delta=0.44, Delta_1=1.14
115_Mc:  OK: Delta=1.55, Delta_1=2.77
116_Lv:  OK: Delta=2.27, Delta_1=3.75
117_Ts:  OK: Delta=2.18, Delta_1=5.42
119_Uue: OK: Delta=0.44, Delta_1=5.02
120_Ubn: OK: Delta=0.29, Delta_1=2.26

AE results

All AE are fine and the EOS looks perfect and were obtained with TZ2P

FCC COMPUTATIONAL DETAILS####

Spin Orbit Coupling no Spin Polarization collinear (Z) for ferromagnetic case (restricted no magnetic case) Smearing Fermi-Dirac 0.001 Ha K-points 15 x 15 x 15

DATA FOR PAPERS

  1. Delta-Gauge (meV) (FCC system)
  2. Delta_1-Gauge (meV) (FCC system)
  3. Difference between V0 B0 and B0' obtained with AE and PW (FCC system)

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